6-azanyl-2-(dibutylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 6-azanyl-2-(dibutylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Openeye Name: 6-amino-2-(dibutylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid CAS Name: 6-amino-2-(dibutylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid IUPAC Name: 6-amino-2-(dibutylamino)-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Traditional Name: 6-amino-2-(dibutylamino)-5-mesyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydropyridine-3-carboxylic acid Formula: C22H30F3N3O4S MolecularWeight: 489.55151

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C1=NC(=C(C(C1C(=O)O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C)N

Isomeric SMILES

CCCCN(CCCC)C1=NC(=C(C(C1C(=O)O)C2=CC=CC=C2C(F)(F)F)S(=O)(=O)C)N

InChI

InChI=1S/C22H30F3N3O4S/c1-4-6-12-28(13-7-5-2)20-17(21(29)30)16(18(19(26)27-20)33(3,31)32)14-10-8-9-11-15(14)22(23,24)25/h8-11,16-17H,4-7,12-13,26H2,1-3H3,(H,29,30)